canSAR82207
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N[C@@H](CCCCNC(=O)c1ccc(N)nc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)O
    InChI
    InChI=1S/C79H102ClN19O15/c1-46(2)38-60(71(106)94-59(22-14-36-88-79(82)83)77(112)99-37-15-23-65(99)76(111)90-47(3)78(113)114)95-70(105)58(21-8-11-34-86-67(102)54-28-31-66(81)89-44-54)92-69(104)57(20-9-12-35-87-68(103)56-19-7-10-33-85-56)93-75(110)64(45-100)98-74(109)63(42-51-16-13-32-84-43-51)97-73(108)62(40-49-25-29-55(80)30-26-49)96-72(107)61(91-48(4)101)41-50-24-27-52-17-5-6-18-53(52)39-50/h5-7,10,13,16-19,24-33,39,43-44,46-47,57-65,100H,8-9,11-12,14-15,20-23,34-38,40-42,45H2,1-4H3,(H2,81,89)(H,86,102)(H,87,103)(H,90,111)(H,91,101)(H,92,104)(H,93,110)(H,94,106)(H,95,105)(H,96,107)(H,97,108)(H,98,109)(H,113,114)(H4,82,83,88)/t47-,57-,58-,59-,60-,61-,62-,63-,64-,65+/m0/s1
    MOLECULAR FORMULA
    C79H102ClN19O15
    CROSS REFERENCES
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    canSAR82207
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1591.75
    AlogP1.06
    HBond donors19
    HBond acceptors34
    Atoms216
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR82207.